Modeling Phase Equilibria of Dipolar Fluids with the Saft-Vr+D Equation

In recent work a statistical associating fluid theory for potentials of variable range that explicitly models dipolar fluids was developed. The new theory, termed the SAFT-VR D equation (the statistical associating fluid theory for potentials of variable range plus dipole ) explicitly accounts for dipolar interactions and their effect on the structure of the fluid through the use of the generalized mean spherical approximation (GMSA) to describe a reference fluid of dipolar square-well segments. Isothermal-isobaric and Gibbs ensemble Monte Carlo simulations have been performed to test the new theoretical approach. The results show that the equation of state provides a good description of the phase behavior of the dipolar fluids studied. The SAFT-VR+D equation has also been used to study a number of experimental systems and provides good agreement with experimental data.